Dear ambers,
I encountered a strange problem. I created a new atom type (CE: a new
sp2 carbon) which I defined in a new frcmod file. I added also all the
new parameters required to this file. Now, if I load the new residue
into leap (as a prep file for instance), I also load the new frcmod file
and I ask Leap to "check UNIT" ... evrything looks OK (no missing
parameters). However if I try to saveamberparm for the residue, I get
the error: "Could not find atom type: CE". Does anyone have any idea why?
In the frcmod file I specify
MASS
CE 12.0
Best wishes
vlad
--
Dr. Vlad Cojocaru
EML Research gGmbH
Molecular and Cellular Modeling Group
Villa Bosch
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg
Germany
Phone: +49-6221-533266
Fax: +49-6221-533298
e-mail: Vlad.Cojocaru.eml-r.villa-bosch.de
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Received on Wed Nov 02 2005 - 18:53:01 PST
